Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole-2-aceticacid, 5-methoxy-, methyl ester |
EINECS | N/A |
CAS No. | 27798-66-9 | Density | 1.226 g/cm3 |
PSA | 51.32000 | LogP | 1.89200 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H13NO3 | Boiling Point | 379.7 °C at 760 mmHg |
Molecular Weight | 219.24 | Flash Point | 183.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Indole-2-aceticacid, 5-methoxy-, methyl ester (8CI); |
Article Data | 1 |
The 1H-Indole-2-aceticacid, 5-methoxy-, methyl ester, with the CAS registry number 27798-66-9, is also known as Methyl (5-methoxy-1H-indol-2-yl)acetat. This chemical's molecular formula is C12H13NO3 and molecular weight is 219.2365. Its systematic name is called methyl 2-(5-methoxy-1H-indol-2-yl)acetate.
Physical properties of 1H-Indole-2-aceticacid, 5-methoxy-, methyl ester: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.81; (3)ACD/LogD (pH 7.4): 1.81; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.6; (8)Molar Refractivity: 61.16 cm3; (9)Molar Volume: 178.6 cm3; (10)Surface Tension: 47.2 dyne/cm; (11)Density: 1.226 g/cm3; (12)Flash Point: 183.4 °C; (13)Enthalpy of Vaporization: 62.77 kJ/mol; (14)Boiling Point: 379.7 °C at 760 mmHg; (15)Vapour Pressure: 5.76E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)Cc1cc2cc(ccc2n1)OC
(2)InChI: InChI=1/C12H13NO3/c1-15-10-3-4-11-8(6-10)5-9(13-11)7-12(14)16-2/h3-6,13H,7H2,1-2H3
(3)InChIKey: DSICFNMDJFXSBP-UHFFFAOYAA